methyl-[[6-oxidanyl-4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[[6-oxidanyl-4-oxidanylidene-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[6-hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]methyl]-methyl-ammonium CAS Name: [6-hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-5-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[6-hydroxy-4-oxo-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]methyl]-methylazanium Traditional Name: benzyl-[[6-hydroxy-4-keto-2-(3,4,5-trimethoxyphenyl)chromen-5-yl]methyl]-methyl-ammonium Formula: C27H28NO6+ MolecularWeight: 462.51432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2C(=O)C=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2C(=O)C=C(O3)C4=CC(=C(C(=C4)OC)OC)OC)O

InChI

InChI=1S/C27H27NO6/c1-28(15-17-8-6-5-7-9-17)16-19-20(29)10-11-22-26(19)21(30)14-23(34-22)18-12-24(31-2)27(33-4)25(13-18)32-3/h5-14,29H,15-16H2,1-4H3/p+1